# generated using pymatgen data_Ca3(InGa2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67847681 _cell_length_b 4.67847681 _cell_length_c 22.73108100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001143 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3(InGa2)2 _chemical_formula_sum 'Ca6 In4 Ga8' _cell_volume 430.88327115 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.25539400 1.0 Ca Ca1 1 0.00000000 0.00000000 0.58714800 1.0 Ca Ca2 1 0.00000000 0.00000000 0.91955600 1.0 Ca Ca3 1 0.00000000 0.00000000 0.07867400 1.0 Ca Ca4 1 0.00000000 0.00000000 0.41592400 1.0 Ca Ca5 1 0.00000000 0.00000000 0.74925500 1.0 In In6 1 0.66666700 0.33333300 0.18506800 1.0 In In7 1 0.66666700 0.33333300 0.51378000 1.0 In In8 1 0.66666700 0.33333300 0.84681300 1.0 In In9 1 0.33333300 0.66666700 0.14867400 1.0 Ga Ga10 1 0.33333300 0.66666700 0.48123000 1.0 Ga Ga11 1 0.33333300 0.66666700 0.81437600 1.0 Ga Ga12 1 0.33333300 0.66666700 0.01367800 1.0 Ga Ga13 1 0.33333300 0.66666700 0.34915000 1.0 Ga Ga14 1 0.33333300 0.66666700 0.68238300 1.0 Ga Ga15 1 0.66666700 0.33333300 0.32044900 1.0 Ga Ga16 1 0.66666700 0.33333300 0.65291900 1.0 Ga Ga17 1 0.66666700 0.33333300 0.98553100 1.0